CID 136182642

4-chloro-2-[3-(4h-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C10H6ClN5O2
SMILES
C1=CC(=C(C=C1Cl)C2=NC(=NO2)C3=NC=NN3)O
InChI
InChI=1S/C10H6ClN5O2/c11-5-1-2-7(17)6(3-5)10-14-9(16-18-10)8-12-4-13-15-8/h1-4,17H,(H,12,13,15)
InChIKey
XPVORZGETZRKFH-UHFFFAOYSA-N
Compound name
4-chloro-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02828 152.2
[M+Na]+ 286.01022 164.8
[M-H]- 262.01372 155.2
[M+NH4]+ 281.05482 163.6
[M+K]+ 301.98416 159.6
[M+H-H2O]+ 246.01826 142.5
[M+HCOO]- 308.01920 166.9
[M+CH3COO]- 322.03485 164.2
[M+Na-2H]- 283.99567 156.1
[M]+ 263.02045 155.4
[M]- 263.02155 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.